Glycoside
...
GD105946

Name:
None

Formula:
C22H35O15N7P3

Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)CC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

Aglycone:
CC[PH](O)(O)O[PH](O)(O)OC.NC(=O)c1ccc[nH+]c1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(OP(O)O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 13 FractionCSP3: 0.5
AlogP: -3.73 Num_rotatable_bonds: 13
MolWt: 730.48 Num_heavy_atoms: 47
TPSA: 344.81 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD00069
Formula: C6H7ON2

Smiles:
NC(=O)c1ccc[nH+]c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.4 Num_rotatable_bonds: 1
MolWt: 123.13 Num_heavy_atoms: 9
TPSA: 57.23 NumAromaticRings: 1
AD44093
Formula: C3H14O6P2

Smiles:
CC[PH](O)(O)O[PH](O)(O)OC
HBA: 6 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.46 Num_rotatable_bonds: 4
MolWt: 208.09 Num_heavy_atoms: 11
TPSA: 99.38 NumAromaticRings: 0

Sugarmoiety
SD04159

OC1OC(O)C(O)C1O.OC1OC(O)C(OP(O)O)C1O